#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 s SER 2 N 0.00 -0.12 0.52 6.43 0.01 -1.26 -5.15 113.70 114.14 1f55 s SER 2 Ca 0.00 0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 1f55 s SER 2 Cb 0.00 0.31 -0.07 0.00 0.21 0.00 0.00 66.02 66.47 1f55 s SER 2 CO 0.00 -0.35 1.02 0.21 0.41 0.00 0.00 173.24 174.53 1f55 s ASN 3 N -1.07 6.30 0.00 2.44 2.47 -1.26 -5.06 114.94 118.77 1f55 s ASN 3 Ca -0.11 1.76 0.00 0.00 0.42 0.00 0.00 52.86 54.93 1f55 s ASN 3 Cb -0.06 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1f55 s ASN 3 CO 0.02 -0.81 0.00 0.18 -3.72 0.00 0.00 177.10 172.78 1f55 n LEU 4 N -1.46 0.00 0.00 3.21 4.32 -1.26 -4.17 117.00 117.64 1f55 n LEU 4 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1f55 n LEU 4 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1f55 n LEU 4 CO 0.44 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.96 1f55 n THR 5 N 0.00 0.00 -0.65 -5.08 -2.24 -1.26 -0.54 114.28 104.52 1f55 n THR 5 Ca 0.00 0.00 0.50 0.00 -2.27 0.00 0.00 64.05 62.28 1f55 n THR 5 Cb 0.00 0.00 0.81 0.00 -2.10 0.00 0.00 70.33 69.04 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.00 -0.08 -0.78 4.11 -1.97 0.99 114.58 116.84 1f55 h GLU 6 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1f55 h GLU 6 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 6 CO 0.00 0.00 -0.15 1.49 0.07 0.00 0.00 179.01 180.42 1f55 h GLU 7 N 0.00 0.25 -0.17 1.06 4.81 -1.06 -1.05 114.58 118.42 1f55 h GLU 7 Ca 0.89 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.86 1f55 h GLU 7 Cb 3.52 0.02 0.00 0.00 0.63 0.00 0.00 28.75 32.92 1f55 h GLU 7 CO -0.03 0.74 -0.30 -0.56 -0.73 0.00 0.00 179.01 178.12 1f55 h GLN 8 N -0.22 0.50 0.40 1.92 3.07 0.12 -2.77 115.11 118.14 1f55 h GLN 8 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 58.65 58.42 1f55 h GLN 8 Cb 0.72 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.30 1f55 h GLN 8 CO 0.03 0.91 -0.37 0.82 0.09 0.00 0.00 178.83 180.32 1f55 h ILE 9 N 0.14 0.00 -0.85 1.86 2.04 -0.53 0.33 117.51 120.50 1f55 h ILE 9 Ca 0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.07 1f55 h ILE 9 Cb 0.89 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.81 1f55 h ILE 9 CO 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.16 1f55 h ALA 10 N -1.18 0.82 -0.52 1.87 0.00 -1.26 0.68 119.26 119.66 1f55 h ALA 10 Ca -0.05 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1f55 h ALA 10 Cb 0.65 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1f55 h ALA 10 CO -0.03 -0.45 0.28 0.93 0.00 0.00 0.00 179.25 179.99 1f55 h GLU 11 N 0.05 0.73 0.12 0.00 4.39 -1.11 -2.81 114.58 115.95 1f55 h GLU 11 Ca 0.46 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1f55 h GLU 11 Cb 0.83 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1f55 h GLU 11 CO -0.80 0.57 -0.06 0.74 -1.16 0.00 0.00 179.01 178.30 1f55 h PHE 12 N 0.70 -0.15 -0.88 4.33 0.04 0.41 -2.68 116.94 118.70 1f55 h PHE 12 Ca 0.18 -0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.10 1f55 h PHE 12 Cb 0.06 0.05 -0.15 0.00 2.20 0.00 0.00 35.95 38.10 1f55 h PHE 12 CO -0.01 -0.02 -0.33 0.87 -0.60 0.00 0.00 178.31 178.21 1f55 h LYS 13 N -0.25 -0.04 -0.59 1.51 1.57 -0.05 1.16 116.57 119.89 1f55 h LYS 13 Ca -0.02 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1f55 h LYS 13 Cb 0.20 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 1f55 h LYS 13 CO 0.03 -0.02 0.21 0.93 -0.57 0.00 0.00 179.45 180.02 1f55 h GLU 14 N -0.04 0.37 -0.21 3.15 3.07 -1.27 -1.40 114.58 118.26 1f55 h GLU 14 Ca 0.35 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 1f55 h GLU 14 Cb 0.61 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1f55 h GLU 14 CO -0.91 0.24 0.05 0.00 -1.40 0.00 0.00 179.01 177.00 1f55 h ALA 15 N 1.42 0.28 -0.18 3.43 0.00 0.13 -2.81 119.26 121.52 1f55 h ALA 15 Ca 0.30 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1f55 h ALA 15 Cb 0.38 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1f55 h ALA 15 CO -0.31 -0.08 -0.40 0.35 0.00 0.00 0.00 179.25 178.82 1f55 h PHE 16 N 0.16 -1.19 -0.81 0.00 3.57 0.16 -0.02 116.94 118.81 1f55 h PHE 16 Ca 0.07 0.05 0.17 0.00 3.53 0.00 0.00 57.97 61.79 1f55 h PHE 16 Cb 0.27 0.54 -0.15 0.00 2.79 0.00 0.00 35.95 39.40 1f55 h PHE 16 CO 0.01 -0.38 -0.15 0.00 -2.23 0.00 0.00 178.31 175.56 1f55 h ALA 17 N -0.52 0.62 -1.15 2.41 0.00 -1.31 1.23 119.26 120.52 1f55 h ALA 17 Ca 0.04 0.30 0.34 0.00 0.00 0.00 0.00 54.91 55.59 1f55 h ALA 17 Cb 0.46 0.58 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1f55 h ALA 17 CO -0.36 -0.42 0.74 1.25 0.00 0.00 0.00 179.25 180.46 1f55 h LEU 18 N 0.02 0.36 -0.07 0.00 6.46 -0.74 0.27 115.31 121.60 1f55 h LEU 18 Ca 0.41 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 58.21 1f55 h LEU 18 Cb 0.65 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1f55 h LEU 18 CO -0.81 -0.04 -0.21 -0.26 -0.62 0.00 0.00 178.44 176.51 1f55 h PHE 19 N 0.25 0.35 -3.91 1.25 0.04 0.20 -3.41 116.94 111.70 1f55 h PHE 19 Ca 0.69 -0.14 -0.45 0.00 2.80 0.00 0.00 57.97 60.88 1f55 h PHE 19 Cb 1.97 -0.06 0.16 0.00 2.20 0.00 0.00 35.95 40.22 1f55 h PHE 19 CO -0.00 0.82 0.22 0.34 -0.60 0.00 0.00 178.31 179.09 1f55 s ASP 20 N -6.20 2.52 -0.10 2.17 2.15 0.94 -2.22 116.67 115.94 1f55 s ASP 20 Ca -0.15 0.95 0.17 0.00 0.43 0.00 0.00 52.55 53.95 1f55 s ASP 20 Cb 0.03 -1.48 0.36 0.00 -0.30 0.00 0.00 42.92 41.54 1f55 s ASP 20 CO 0.75 -3.17 1.17 0.29 -0.17 0.00 0.00 175.17 174.04 1f55 n LYS 21 N -4.17 0.76 -0.55 4.34 4.76 -1.26 -4.78 118.16 117.27 1f55 n LYS 21 Ca 0.07 -2.47 -0.02 0.00 -2.87 0.00 0.00 58.31 53.03 1f55 n LYS 21 Cb 0.58 -0.85 -0.02 0.00 -1.84 0.00 0.00 35.03 32.90 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1f55 n ASP 22 N -0.40 -0.28 -2.62 4.39 5.68 -1.26 -4.97 116.55 117.08 1f55 n ASP 22 Ca 0.12 -0.97 -0.03 0.00 -0.50 0.00 0.00 54.79 53.41 1f55 n ASP 22 Cb 0.86 0.08 -0.00 0.00 -1.14 0.00 0.00 41.12 40.92 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1f55 n ASN 23 N 0.00 -1.27 -0.04 -1.12 3.02 -1.26 -4.69 115.26 109.90 1f55 n ASN 23 Ca -0.08 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1f55 n ASN 23 Cb 0.43 -1.21 0.01 0.00 -0.61 0.00 0.00 39.78 38.40 1f55 n ASN 23 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1f55 n ASN 24 N -1.58 0.11 -0.45 6.41 4.05 -1.26 -4.81 115.26 117.73 1f55 n ASN 24 Ca -0.00 -2.00 -0.06 0.00 0.45 0.00 0.00 54.58 52.97 1f55 n ASN 24 Cb 0.51 -0.02 -0.02 0.00 1.23 0.00 0.00 39.78 41.47 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f55 n GLY 25 N 0.52 0.64 3.03 8.20 0.00 -1.26 -4.93 105.19 111.39 1f55 n GLY 25 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.28 -0.02 -0.13 1.61 0.15 -1.26 -2.99 113.70 108.77 1f55 s SER 26 Ca 0.00 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.66 1f55 s SER 26 Cb 0.00 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1f55 s SER 26 CO 0.00 -0.18 -0.18 -0.63 1.20 0.00 0.00 173.24 173.45 1f55 s ILE 27 N -0.62 1.73 0.00 6.45 1.01 0.26 -4.70 121.20 125.32 1f55 s ILE 27 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1f55 s ILE 27 Cb -0.04 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1f55 s ILE 27 CO 0.00 0.49 0.00 -1.54 0.00 0.00 0.00 174.94 173.89 1f55 n SER 28 N 4.28 0.00 -0.07 3.58 3.41 -1.26 -1.06 113.62 122.50 1f55 n SER 28 Ca -0.19 -0.49 -0.12 0.00 -0.26 0.00 0.00 58.87 57.80 1f55 n SER 28 Cb 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1f55 n SER 28 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f55 h SER 29 N 0.00 0.40 0.25 4.04 0.02 -1.90 -2.67 113.55 113.69 1f55 h SER 29 Ca 0.00 -0.40 -0.20 0.00 -0.84 0.00 0.00 61.79 60.35 1f55 h SER 29 Cb 0.00 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1f55 h SER 29 CO 0.00 0.72 -0.78 -1.28 -1.14 0.00 0.00 176.83 174.34 1f55 h SER 30 N 0.09 0.53 0.54 3.07 0.87 -1.94 -2.55 113.55 114.16 1f55 h SER 30 Ca 0.04 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1f55 h SER 30 Cb 0.56 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1f55 h SER 30 CO 0.03 1.12 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.84 1f55 h GLU 31 N 0.29 -0.73 -0.57 2.24 5.08 -1.81 -0.41 114.58 118.66 1f55 h GLU 31 Ca -0.04 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1f55 h GLU 31 Cb 1.38 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.74 1f55 h GLU 31 CO 0.14 -0.48 0.28 1.25 -1.00 0.00 0.00 179.01 179.19 1f55 h LEU 32 N -0.75 0.38 -1.76 1.33 6.46 -1.08 -0.65 115.31 119.24 1f55 h LEU 32 Ca -0.07 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 57.84 1f55 h LEU 32 Cb 0.59 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1f55 h LEU 32 CO 0.11 0.25 0.37 0.00 -0.62 0.00 0.00 178.44 178.55 1f55 h ALA 33 N 1.33 2.15 -0.94 1.25 0.00 -1.37 -0.84 119.26 120.84 1f55 h ALA 33 Ca 0.26 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.40 1f55 h ALA 33 Cb 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1f55 h ALA 33 CO -0.20 -0.28 0.64 1.15 0.00 0.00 0.00 179.25 180.55 1f55 h THR 34 N 0.27 0.60 -0.14 0.00 2.02 0.57 0.91 112.91 117.14 1f55 h THR 34 Ca 0.26 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1f55 h THR 34 Cb 0.64 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1f55 h THR 34 CO -0.05 0.05 0.00 0.55 0.37 0.00 0.00 175.52 176.43 1f55 n VAL 35 N -4.45 0.33 0.11 3.16 3.14 -0.32 -3.93 118.33 116.38 1f55 n VAL 35 Ca 0.20 -0.24 -0.01 0.00 -2.96 0.00 0.00 64.34 61.34 1f55 n VAL 35 Cb 0.83 -0.08 0.28 0.00 -1.06 0.00 0.00 33.84 33.81 1f55 n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1f55 h MET 36 N 0.89 0.22 0.00 1.45 -0.00 0.75 -2.46 114.93 115.77 1f55 h MET 36 Ca 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1f55 h MET 36 Cb 0.40 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1f55 h MET 36 CO 0.03 0.53 -0.02 -0.09 -0.00 0.00 0.00 176.91 177.37 1f55 h ARG 37 N 0.19 0.00 -0.59 -0.10 2.43 -1.77 0.67 114.38 115.21 1f55 h ARG 37 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1f55 h ARG 37 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1f55 h ARG 37 CO 0.05 0.02 0.00 0.43 -1.51 0.00 0.00 179.97 178.96 1f55 n SER 38 N -3.60 3.28 0.13 -3.80 7.64 -0.93 -4.65 113.62 111.69 1f55 n SER 38 Ca -0.03 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1f55 n SER 38 Cb 0.11 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1f55 n LEU 39 N 0.75 -1.79 -3.29 -3.43 7.94 0.06 -5.08 117.00 112.15 1f55 n LEU 39 Ca 0.18 0.49 -0.09 0.00 -1.11 0.00 0.00 56.01 55.47 1f55 n LEU 39 Cb 0.61 1.83 -0.05 0.00 0.53 0.00 0.00 43.42 46.34 1f55 n LEU 39 CO 0.16 -0.24 -0.05 -0.83 -1.11 0.00 0.00 177.39 175.32 1f55 s GLY 40 N -2.70 -0.58 1.30 -3.96 0.00 0.21 -5.10 107.32 96.50 1f55 s GLY 40 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.26 1f55 s GLY 40 CO 0.00 3.14 0.97 -2.27 0.00 0.00 0.00 173.10 174.94 1f55 s LEU 41 N 1.83 -0.20 -1.33 0.66 2.96 -0.90 -3.80 118.68 117.90 1f55 s LEU 41 Ca 0.15 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1f55 s LEU 41 Cb -0.11 -2.88 0.02 0.00 0.50 0.00 0.00 46.19 43.72 1f55 s LEU 41 CO -0.11 -4.86 0.83 -0.24 -1.32 0.00 0.00 176.35 170.65 1f55 n SER 42 N -5.33 -2.28 0.00 3.68 2.88 -1.26 -4.88 113.62 106.42 1f55 n SER 42 Ca 0.07 -0.76 -0.15 0.00 -1.33 0.00 0.00 58.87 56.69 1f55 n SER 42 Cb 0.57 -4.26 -0.04 0.00 -0.75 0.00 0.00 64.21 59.73 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f55 h PRO 43 N -1.97 0.67 -2.38 -1.46 0.13 -1.96 -3.50 132.00 121.53 1f55 h PRO 43 Ca -0.60 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 63.98 1f55 h PRO 43 Cb 1.36 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1f55 h PRO 43 CO 0.57 1.17 -0.61 0.43 -0.23 0.00 0.00 178.00 179.33 1f55 n SER 44 N -3.90 -5.54 -0.26 1.44 7.64 -1.26 -2.48 113.62 109.26 1f55 n SER 44 Ca -0.07 1.07 0.07 0.00 1.01 0.00 0.00 58.87 60.96 1f55 n SER 44 Cb 0.74 -2.83 0.15 0.00 -1.01 0.00 0.00 64.21 61.26 1f55 n SER 44 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1f55 n GLU 45 N -1.81 -0.06 -0.25 1.43 2.13 -1.26 0.10 120.64 120.92 1f55 n GLU 45 Ca 0.00 1.12 -0.02 0.00 0.66 0.00 0.00 57.16 58.92 1f55 n GLU 45 Cb 0.21 -1.72 0.04 0.00 0.27 0.00 0.00 31.44 30.24 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1f55 h ALA 46 N 1.47 0.19 0.17 4.31 0.00 -1.99 0.81 119.26 124.21 1f55 h ALA 46 Ca 0.39 0.23 -0.27 0.00 0.00 0.00 0.00 54.91 55.26 1f55 h ALA 46 Cb 0.70 0.73 0.03 0.00 0.00 0.00 0.00 17.79 19.24 1f55 h ALA 46 CO -0.73 -0.57 -1.15 0.93 0.00 0.00 0.00 179.25 177.73 1f55 h GLU 47 N -0.08 0.49 0.24 0.00 4.39 0.10 -2.31 114.58 117.42 1f55 h GLU 47 Ca 0.30 -0.75 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1f55 h GLU 47 Cb 0.56 0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1f55 h GLU 47 CO -0.75 1.34 -0.17 0.28 -1.16 0.00 0.00 179.01 178.55 1f55 h VAL 48 N 0.02 0.00 -0.70 3.13 2.07 0.62 0.30 116.25 121.68 1f55 h VAL 48 Ca -0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.43 1f55 h VAL 48 Cb 1.88 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 1f55 h VAL 48 CO 0.22 0.00 0.32 -1.13 0.02 0.00 0.00 177.57 176.99 1f55 h ASN 49 N -0.40 0.37 -0.43 0.57 -0.73 0.43 -1.52 115.58 113.88 1f55 h ASN 49 Ca -0.03 0.08 0.08 0.00 1.87 0.00 0.00 56.30 58.29 1f55 h ASN 49 Cb 0.33 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.87 1f55 h ASN 49 CO 0.02 0.20 0.01 0.44 -0.37 0.00 0.00 177.43 177.73 1f55 h ASP 50 N 0.52 -0.15 0.12 1.15 5.19 -1.19 0.60 116.42 122.67 1f55 h ASP 50 Ca 0.36 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.88 1f55 h ASP 50 Cb 0.44 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 1f55 h ASP 50 CO -0.31 -0.04 -0.34 -0.07 -3.12 0.00 0.00 179.24 175.36 1f55 h LEU 51 N 0.12 -1.00 -0.12 1.55 -0.00 0.11 1.62 115.31 117.60 1f55 h LEU 51 Ca 0.21 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 58.20 1f55 h LEU 51 Cb 0.30 0.38 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1f55 h LEU 51 CO -0.34 -0.43 0.05 -0.03 -0.00 0.00 0.00 178.44 177.69 1f55 h MET 52 N -0.58 0.17 -0.28 1.13 4.05 -1.12 -2.65 114.93 115.65 1f55 h MET 52 Ca 0.03 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1f55 h MET 52 Cb 0.60 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1f55 h MET 52 CO -0.20 0.26 -0.00 -0.97 0.23 0.00 0.00 176.91 176.22 1f55 h ASN 53 N 0.05 0.39 0.01 1.39 -1.24 0.51 0.98 115.58 117.67 1f55 h ASN 53 Ca 0.04 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1f55 h ASN 53 Cb 0.15 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 1f55 h ASN 53 CO -0.00 0.46 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.26 1f55 h GLU 54 N 0.41 0.00 0.00 6.67 4.39 0.27 -2.71 114.58 123.61 1f55 h GLU 54 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1f55 h GLU 54 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1f55 h GLU 54 CO 0.01 0.01 -0.52 -0.89 -1.16 0.00 0.00 179.01 176.45 1f55 n ILE 55 N -4.19 0.00 -1.53 3.13 5.41 -0.72 -4.89 119.36 116.57 1f55 n ILE 55 Ca -0.03 -0.31 -0.13 0.00 1.00 0.00 0.00 62.75 63.29 1f55 n ILE 55 Cb 0.09 0.85 -0.10 0.00 -0.71 0.00 0.00 39.64 39.77 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f55 n ASP 56 N -1.28 1.10 -0.06 4.38 -0.08 0.33 -4.68 116.55 116.26 1f55 n ASP 56 Ca 0.01 -2.17 0.05 0.00 -1.51 0.00 0.00 54.79 51.16 1f55 n ASP 56 Cb 0.11 -1.61 0.41 0.00 2.34 0.00 0.00 41.12 42.37 1f55 n ASP 56 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f55 h VAL 57 N 6.92 1.08 0.00 5.18 -1.51 -1.87 -2.62 116.25 123.43 1f55 h VAL 57 Ca 0.00 -0.21 -0.22 0.00 -1.23 0.00 0.00 66.70 65.05 1f55 h VAL 57 Cb 1.00 0.41 -0.04 0.00 -2.13 0.00 0.00 31.29 30.54 1f55 h VAL 57 CO 1.01 0.11 -1.84 -0.90 -1.23 0.00 0.00 177.57 174.72 1f55 n ASP 58 N -4.47 0.46 -1.36 4.19 5.68 -1.26 -5.03 116.55 114.76 1f55 n ASP 58 Ca 0.05 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 1f55 n ASP 58 Cb 0.12 0.70 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f55 n GLY 59 N 1.50 0.38 0.67 6.12 0.00 -0.99 -5.01 105.19 107.86 1f55 n GLY 59 Ca -0.17 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.62 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N -1.14 1.51 0.00 1.61 6.94 -1.26 -4.94 115.26 117.98 1f55 n ASN 60 Ca 0.00 -3.10 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 1f55 n ASN 60 Cb 0.45 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -0.71 0.00 -3.64 -2.53 8.25 -1.26 -4.92 115.22 110.40 1f55 n HIS 61 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1f55 n HIS 61 Cb 0.78 -0.82 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -0.63 0.96 0.16 -0.41 -0.21 -1.26 -3.66 119.66 114.62 1f55 s GLN 62 Ca 0.00 -0.40 0.07 0.00 0.02 0.00 0.00 55.36 55.06 1f55 s GLN 62 Cb 0.00 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 1f55 s GLN 62 CO 0.00 -0.34 -0.16 0.96 -2.12 0.00 0.00 175.29 173.63 1f55 s ILE 63 N -2.69 1.64 0.49 1.08 -5.25 -0.23 -4.77 121.20 111.48 1f55 s ILE 63 Ca -0.04 -1.93 0.08 0.00 -0.99 0.00 0.00 60.65 57.76 1f55 s ILE 63 Cb -0.00 -1.80 0.03 0.00 2.95 0.00 0.00 42.46 43.64 1f55 s ILE 63 CO -0.04 -0.43 0.55 -1.61 -1.79 0.00 0.00 174.94 171.63 1f55 s GLU 64 N -2.99 2.47 0.00 0.37 2.02 -1.26 0.91 118.70 120.22 1f55 s GLU 64 Ca 0.15 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1f55 s GLU 64 Cb -0.04 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1f55 s GLU 64 CO 0.05 -0.50 0.90 0.34 0.02 0.00 0.00 175.26 176.08 1f55 n PHE 65 N -1.87 0.00 -0.24 1.61 7.35 -1.16 -1.59 117.46 121.56 1f55 n PHE 65 Ca 0.07 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.97 1f55 n PHE 65 Cb 0.62 -0.40 0.38 0.00 0.35 0.00 0.00 39.48 40.42 1f55 n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1f55 n SER 66 N -2.14 0.18 -0.07 -2.13 7.64 -1.26 0.25 113.62 116.10 1f55 n SER 66 Ca 0.00 1.21 -0.10 0.00 1.01 0.00 0.00 58.87 60.99 1f55 n SER 66 Cb 0.00 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f55 h GLU 67 N 0.00 0.34 -0.99 1.43 5.08 -1.63 -0.91 114.58 117.90 1f55 h GLU 67 Ca 0.58 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 59.03 1f55 h GLU 67 Cb 1.47 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.57 1f55 h GLU 67 CO -0.58 0.32 0.62 0.35 -1.00 0.00 0.00 179.01 178.71 1f55 h PHE 68 N 0.27 1.07 -0.30 4.33 3.57 0.42 -0.69 116.94 125.61 1f55 h PHE 68 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1f55 h PHE 68 Cb 0.08 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1f55 h PHE 68 CO -0.03 0.38 0.02 -0.07 -2.23 0.00 0.00 178.31 176.38 1f55 h LEU 69 N 0.89 0.50 -0.83 0.59 -0.00 -0.69 0.22 115.31 115.99 1f55 h LEU 69 Ca 0.51 -0.29 0.19 0.00 -0.00 0.00 0.00 57.88 58.29 1f55 h LEU 69 Cb 0.62 -0.13 -0.12 0.00 -0.00 0.00 0.00 40.66 41.03 1f55 h LEU 69 CO -0.28 0.66 0.30 0.00 -0.00 0.00 0.00 178.44 179.12 1f55 h ALA 70 N 0.86 1.22 0.00 1.53 0.00 0.21 0.32 119.26 123.41 1f55 h ALA 70 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1f55 h ALA 70 Cb 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f55 h ALA 70 CO 0.01 -0.33 -0.55 1.25 0.00 0.00 0.00 179.25 179.63 1f55 h LEU 71 N 0.35 0.00 0.00 0.00 5.85 -1.24 -3.40 115.31 116.87 1f55 h LEU 71 Ca 0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1f55 h LEU 71 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1f55 h LEU 71 CO -0.52 0.06 0.00 0.80 -0.34 0.00 0.00 178.44 178.43 1f55 n MET 72 N -2.91 0.00 0.00 1.25 1.56 0.10 -4.98 117.12 112.14 1f55 n MET 72 Ca 0.01 0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 1f55 n MET 72 Cb 0.57 -0.73 0.00 0.00 2.15 0.00 0.00 33.22 35.21 1f55 n MET 72 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1f55 n SER 73 N -0.69 0.08 0.00 6.12 2.88 -0.54 -4.99 113.62 116.48 1f55 n SER 73 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1f55 n SER 73 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1f55 n ARG 74 N 0.00 0.00 0.00 -1.46 0.63 -1.26 -4.69 116.66 109.88 1f55 n ARG 74 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1f55 n ARG 74 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f55 n GLN 75 N 9.79 0.00 -1.53 -0.14 7.27 -1.26 -4.26 117.38 127.25 1f55 n GLN 75 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 1f55 n GLN 75 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1f55 n LEU 76 N 0.00 1.11 0.00 1.69 4.32 -1.26 -5.24 117.00 117.62 1f55 n LEU 76 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 1f55 n LEU 76 Cb 0.00 -1.22 0.00 0.00 -1.62 0.00 0.00 43.42 40.58 1f55 n LEU 76 CO 0.00 -1.27 0.13 1.17 -1.22 0.00 0.00 177.39 176.19